[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H20F2O5 MolecularWeight: 438.420106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCC(=O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)CCC(=O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C25H20F2O5/c26-20-8-6-16(7-9-20)22(28)10-11-23(29)30-14-18-12-21(27)13-19-15-31-25(32-24(18)19)17-4-2-1-3-5-17/h1-9,12-13,25H,10-11,14-15H2/t25-/m0/s1